COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL529156
Chemical Name: 4-(benzoyloxy)-5-[(benzoyloxy)methyl]-2-(6-{[4-({2-[3,4-bis(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-2-yl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}sulfanyl)butyl]sulfanyl}-3,5-dioxo-2,3,4,5-te
Smiles: O=C(c1ccccc1)OC1C(OC(=O)c2ccccc2)C(OC1n1nc(SCCCCSc2nn(c(=O)[nH]c2=O)C2OC(C(C2OC(=O)c2ccccc2)OC(=O)c2ccccc2)COC(=O)c2ccccc2)c(=O)[nH]c1=O)COC(=O)c1ccccc1

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Molecular Weight: 1233.26
Empirical Formula: C62H52N6O18S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.088
Rotatable bonds: 23
H-donors: 2
H-acceptors: 18
PSA: 350
Number of rings: 10

     

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